(2S,3S)-3-methyl-2-(thiadiazole-4-carbonylamino)pentanoic acid

C9H13N3O3S — CID 65214443

IUPAC(2S,3S)-3-methyl-2-(thiadiazole-4-carbonylamino)pentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)c1csnn1)C(=O)O
InChIInChI=1S/C9H13N3O3S/c1-3-5(2)7(9(14)15)10-8(13)6-4-16-12-11-6/h4-5,7H,3H2,1-2H3,(H,10,13)(H,14,15)/t5-,7-/m0/s1
InChIKeyJIPOWCURNKBJFJ-FSPLSTOPSA-N
MW243.29 g/mol
LogP0.77
Rot. Bonds5

About (2S,3S)-3-methyl-2-(thiadiazole-4-carbonylamino)pentanoic acid

(2S,3S)-3-methyl-2-(thiadiazole-4-carbonylamino)pentanoic acid (PubChem CID 65214443) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-(thiadiazole-4-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-(thiadiazole-4-carbonylamino)pentanoic acid
PubChem CID65214443
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name(2S,3S)-3-methyl-2-(thiadiazole-4-carbonylamino)pentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)c1csnn1)C(=O)O
InChIInChI=1S/C9H13N3O3S/c1-3-5(2)7(9(14)15)10-8(13)6-4-16-12-11-6/h4-5,7H,3H2,1-2H3,(H,10,13)(H,14,15)/t5-,7-/m0/s1
InChIKeyJIPOWCURNKBJFJ-FSPLSTOPSA-N
XLogP0.77
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054092
(2R,3R)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054086
3-methyl-2-[[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 84555879
(2S)-3-methyl-2-(thiadiazole-5-carbonylamino)pentanoic acid
CID 61172933
N-(1-amino-1-sulfanylidenebutan-2-yl)thiadiazole-4-carboxamide
CID 65216211
3-methyl-2-(quinoline-2-carbonylamino)pentanoic acid
CID 16795877
(2S,3S)-3-methyl-2-[(5-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 110835380
3-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 18071894
3-methyl-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]pentanoic acid
CID 120520770
3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid
CID 43356462
2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-3-methylpentanoic acid
CID 43356526
(2S,3S)-3-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid
CID 65205940

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-(thiadiazole-4-carbonylamino)pentanoic acid?
The IUPAC name of (2S,3S)-3-methyl-2-(thiadiazole-4-carbonylamino)pentanoic acid (CID 65214443) is (2S,3S)-3-methyl-2-(thiadiazole-4-carbonylamino)pentanoic acid.
What is the SMILES notation for (2S,3S)-3-methyl-2-(thiadiazole-4-carbonylamino)pentanoic acid?
The canonical SMILES for (2S,3S)-3-methyl-2-(thiadiazole-4-carbonylamino)pentanoic acid is CC[C@H](C)[C@H](NC(=O)c1csnn1)C(=O)O.
What is the InChIKey of (2S,3S)-3-methyl-2-(thiadiazole-4-carbonylamino)pentanoic acid?
The InChIKey is JIPOWCURNKBJFJ-FSPLSTOPSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-3-5(2)7(9(14)15)10-8(13)6-4-16-12-11-6/h4-5,7H,3H2,1-2H3,(H,10,13)(H,14,15)/t5-,7-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-(thiadiazole-4-carbonylamino)pentanoic acid?
(2S,3S)-3-methyl-2-(thiadiazole-4-carbonylamino)pentanoic acid has a molecular weight of 243.29 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-(thiadiazole-4-carbonylamino)pentanoic acid is sourced from PubChem (CID 65214443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).